IRIS
LOMBARDO, Giuseppe Marcello
 Distribuzione geografica
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Continente #
NA - Nord America 3.775
AS - Asia 1.981
EU - Europa 1.711
SA - Sud America 324
AF - Africa 198
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 1
Totale 7.997
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Nazione #
US - Stati Uniti d'America 3.635
SG - Singapore 949
CN - Cina 587
RU - Federazione Russa 524
UA - Ucraina 288
BR - Brasile 278
IE - Irlanda 269
IT - Italia 209
VN - Vietnam 208
CA - Canada 115
FR - Francia 105
CI - Costa d'Avorio 98
DE - Germania 89
SE - Svezia 67
FI - Finlandia 47
KR - Corea 45
GB - Regno Unito 41
IN - India 28
NG - Nigeria 27
SN - Senegal 26
BD - Bangladesh 24
HK - Hong Kong 21
ZA - Sudafrica 18
ID - Indonesia 16
TR - Turchia 16
AR - Argentina 15
PL - Polonia 15
MX - Messico 13
JP - Giappone 12
IQ - Iraq 11
NL - Olanda 10
UZ - Uzbekistan 10
CO - Colombia 9
AT - Austria 8
PK - Pakistan 8
AU - Australia 7
CH - Svizzera 7
EC - Ecuador 7
ES - Italia 7
GR - Grecia 7
JO - Giordania 7
KE - Kenya 7
LB - Libano 7
EG - Egitto 6
MA - Marocco 6
NP - Nepal 6
CZ - Repubblica Ceca 5
PH - Filippine 5
TN - Tunisia 5
UY - Uruguay 5
LT - Lituania 4
SA - Arabia Saudita 4
VE - Venezuela 4
PY - Paraguay 3
AZ - Azerbaigian 2
CL - Cile 2
CR - Costa Rica 2
EE - Estonia 2
GE - Georgia 2
KW - Kuwait 2
KZ - Kazakistan 2
LY - Libia 2
PR - Porto Rico 2
SV - El Salvador 2
SY - Repubblica araba siriana 2
AE - Emirati Arabi Uniti 1
AL - Albania 1
AM - Armenia 1
BA - Bosnia-Erzegovina 1
BJ - Benin 1
BN - Brunei Darussalam 1
BW - Botswana 1
DO - Repubblica Dominicana 1
EU - Europa 1
GA - Gabon 1
GD - Grenada 1
GT - Guatemala 1
IL - Israele 1
JM - Giamaica 1
MY - Malesia 1
NO - Norvegia 1
OM - Oman 1
PA - Panama 1
PE - Perù 1
PS - Palestinian Territory 1
PT - Portogallo 1
RO - Romania 1
RS - Serbia 1
SI - Slovenia 1
TT - Trinidad e Tobago 1
Totale 7.997
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Città #
Singapore 601
Dallas 552
Santa Clara 545
Chandler 358
Jacksonville 352
Dublin 269
San Jose 238
Chicago 233
Moscow 200
Ashburn 154
Boardman 130
Catania 111
Hefei 99
Abidjan 98
Beijing 96
Dong Ket 84
Nanjing 81
Toronto 78
Lawrence 76
Andover 75
Cambridge 75
Lauterbourg 71
Seoul 45
Des Moines 43
Ho Chi Minh City 42
Helsinki 41
Los Angeles 41
San Mateo 41
Bremen 38
Nanchang 38
Council Bluffs 36
New York 30
São Paulo 28
Wilmington 28
Hanoi 27
Shenyang 27
Dakar 26
Civitanova Marche 24
Columbus 21
Hong Kong 21
Grafing 19
Hebei 19
Ottawa 18
Lagos 17
The Dalles 17
Buffalo 16
San Francisco 16
Saint Petersburg 14
Changsha 13
Johannesburg 12
Montreal 12
Tianjin 12
Warsaw 11
Abuja 10
Jinan 10
Tokyo 10
Belo Horizonte 9
Orem 9
Brasília 8
Da Nang 8
Hangzhou 8
Nuremberg 8
Guangzhou 7
Jakarta 7
Rio de Janeiro 7
Ankara 6
Baghdad 6
Biên Hòa 6
Fortaleza 6
Houston 6
Liberty Lake 6
Messina 6
Mexico City 6
Nairobi 6
Phoenix 6
Seattle 6
Tashkent 6
Atlanta 5
Brooklyn 5
Chennai 5
Haiphong 5
Jiaxing 5
London 5
Montevideo 5
Munich 5
Stockholm 5
Taizhou 5
Zhengzhou 5
Amman 4
Amsterdam 4
Boston 4
Cairo 4
Cape Town 4
Falls Church 4
Frankfurt am Main 4
Guayaquil 4
Kunming 4
Melbourne 4
Naples 4
Salvador 4
Totale 5.645
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Nome #
1. High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of alpha- and beta-cyclodextrins with the cognition activator 3-phenoxypyridine sulfate (CI-844) 177
An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties 164
1. Force field parameters and molecular mechanics, molecular dynamics and quantum mechanical ab initio studies of 2,2,4,4,6,6-hexakis-(p-phenoxy-phenoxy-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene 164
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 154
Bond-order, stretched chemical bonds and electron correlation 145
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 142
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 134
Correlation energy of diatomic molecules versus number of electrons 132
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 132
X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups 127
From molecules and clusters of atoms to solid state properties 126
Molecular dynamics-modified-neglect-of-diatomic-overlap study of the thermal isomerization mechanism from cis to trans form in polyacetylene 125
ADPs simulations as an additional source of fine structural information 125
Correlation energies in polyatomic molecules modelled in terms of bond order 125
A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug 124
Anomalous sorption kinetics of self-interacting particles by a spherical trap 122
False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters 121
Relation between molecular and atomic correlation energies via overlap population 119
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections 118
Experimental and in silico characterization of a biologically active inosose 118
A novel integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al) layered double hydroxides (LDHs) 116
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 113
A novel approach for direct modelling of the XRPD spectrum using MD simulation technique: application to the study of calcinated Layer Double Hydroxides 113
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 111
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 109
Crystal structure and molecular mechanics, dynamics and quantum-mechanical ab initio studies of 2,2,4,4,6,6-hexakis(p-phenoxyphenoxy)-25,45,65-cyclotriphosphaza-1,3,5-triene 109
Structural, morphological, and modeling studies of N-(benzoyloxy)benzamide as a specific inhibitor of Type II inosine monophosphate dehydrogenase 108
Interfacial diffusion controlled reactions with time varying absorbing domains 108
A novel Integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD)approach for modelling mixed-metal (Zn, Al)Layer Double Hydroxides (LDHs) 108
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 107
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 105
Scaling properties of correlation energies of homonuclear diatoms 104
High field NMR techniques, molecular modelling and molecular dynamics simulations in the study of the inclusion complex of the cognition activator (±)-1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-cyclodextrin 104
Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal 104
Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n) 103
A top-down approach to crystal engineering of a racemic Δ2-isoxazoline 103
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction 102
Functional hybrid co-crystals of humic substances: a growth forecast 102
A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals 100
Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations 100
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid 98
Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2-dioxy-1,1-binaphthyl-)phosphazene in the Bulk State and in the Cast Film 98
Study of cis-trans isomerization of polyacetylene induced by doping 98
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 98
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons? 96
Quantum mechanical studies of organometallic materials containing the Se-Te bond 95
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 95
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems 93
“Dissociation energies in polyatomic molecules and metal clusters” 92
NMR spectroscopic evidence and molecular dynamics studies on inclusion and non-inclusion phenomena between beta-cyclodextrin and new anti-Alzheimer's drugs tacrine (CI-970), velnacrine (HP-029) and suronacrine (HP-128) 92
Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene] 90
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 89
Self-organization by chiral recognition based on ad hoc chiral pockets in cyclotriphosphazenes with binaphthoxy and biphenoxy substituents: an X-ray, NMR and computational study 89
STUDY OF MIXED METAL (Cu/Zn/Al) LAYERED DOUBLE HYDROXIDES (LDHs) BY INTEGRATED X-RAY POWDER DIFFRACTION - MOLECULAR DYNAMICS (XRPD-MD) TECHNIQUE 89
Modeling and Analysis of the X-ray Powder Diffraction Structure of gamma-Zirconium Phosphates Pillared with Butyl Chains through Molecular Dynamics Simulations 88
Mesomeric and pi-moments in some hetero-conjugated compounds 87
Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-trienes 87
MOLECULAR DYNAMICS (MD) AND POWDER X-RAY DIFFRACTION (XRD) COMBINED STUDY OF THE SOLID-STATE STRUCTURE OF LOW CRYSTALLINE MIXED-METAL (Cu, Zn, Al) LAYERED DOUBLE HYDROXYDES (LDHs) 83
High Field NMR Techniques, Molecular Modelling and Molecular Dynamics Simulations in the Study of the Inclusion Complexes of the Cognition Activator (±)-1-(4-methoxy-benzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-Cyclodextrin 83
The quantitative analysis of NOE in the rotatine frame: HR-NMR techniques combined with MD simulations in the case of the host-guest complexes with Cyclodextrins 81
Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with Binaphthxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study 81
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 81
Stereochemistry in solution of spiro-2,2'-dioxybiphenyl-cyclotriphosphazenes: an NMR spectroscopic study combined with molecular dynamics simulations 80
Derivation of Force Field Parameters for 2,2,4,4,6,6,-Hexakis-(alkyloxy)- and -(aryloxy)- 2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5,-trienes 80
Structural Features and Molecular Assembly of Amorphous Phosphazenic Materials in the Bulk - Combined Theoretical and Experimental Techniques: Tris-(2,2-dioxy-1,1-binaphthyl)cyclotriphosphazene 77
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 77
Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface 76
Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph 76
Wrapping and unwrapping an indicaxanthin molecule: A computational approach 75
Integrated XRPD-MD Study of Thermal Effects on Mixed Metal (Cu/Zn/Al) Layered Double Hydroxides (LDHs), Precursors for the OSRM Reaction Catalysts 73
Force field and quantum mechanical study of 3-aminopropyltriethoxy silane sorption on hydroxyl free yttria surface 72
Integrated X-ray Diffraction - Molecular Dynamics Study of Ternary (Cu/Zn/Al) Hydrotalcite-like Compounds containing two Different Interlayer Anions 72
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 71
Novel Integrated X-ray Diffraction and Molecular Dynamics Approaches for Structure Analysis 69
Tsallis q-exponentials as atomic orbitals in two-electron systems 69
Elucidation of the Chiral Recognition Mechanism of Cinchona Alkaloid Carbamate-type Receptors for 3,5-Dinitrobenzoyl Amino Acids 68
From the X-rays to a reliable "low cost" computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases RID A-4921-2011 68
THERMAL EFFECTS ON MIXED METAL (ZN/AL) LAYERED DOUBLE HYDROXIDES (LDHS): DIRECT MODELLING OF THE X-RAY POWDER DIFFRACTION (XRPD) LINE-SHAPE THROUGTH MOLECULAR DYNAMICS (MD) SIMULATIONS 64
Molecular Dynamics Simulations Combined with Large Angle X-ray Scattering Technique For the Determination of the Structure, Conformation, and Conformational Dynamics of Polyphosphazenes in Amorphous Phase: Study of Poly[di-(4-methylphenoxy)phosphazene] 63
Tecniche Spettroscopiche NMR ad Alto Campo e di Simulazione Dinamica Applicate allo Studio di Complessi di Inclusione con Ciclodestrine 59
Totale 8.095
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Categoria #
all - tutte 24.928
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 24.928
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021177 0 0 0 0 0 0 0 0 0 0 71 106
2021/2022622 72 76 3 23 106 3 80 13 60 0 8 178
2022/2023963 84 51 10 125 101 173 3 154 220 6 22 14
2023/2024462 31 46 13 32 13 90 0 25 1 91 72 48
2024/20251.835 35 423 85 50 433 198 98 81 80 134 98 120
2025/20262.982 191 141 613 191 488 568 378 80 109 223 0 0
Totale 8.095